The Barbital, with the CAS registry number 57-44-3 and EINECS registry number 200-331-2, has the IUPAC name of 5,5-diethyl-1,3-diazinane-2,4,6-trione. It is also known as Veronal, and it is a kind of odorless, slightly bitter, white crystalline powder. And the molecular formula of this chemical is C₈H₁₂N₂O₃. What's more, it should be stored at 2-8°C.

The physical properties of Barbital are as followings: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.802; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 2.394; (6)ACD/BCF (pH 7.4): 1.851; (7)ACD/KOC (pH 5.5): 64.949; (8)ACD/KOC (pH 7.4): 50.212; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 75.27 Å²; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 44.093 cm³; (15)Molar Volume: 161.588 cm³; (16)Polarizability: 17.48×10^-24cm³; (17)Surface Tension: 33.632 dyne/cm; (18)Density: 1.14 g/cm³.

Synthesis of Barbital: It can be synthesized in a condensation reaction from urea and a diethyl malonate derivative:

Uses of Barbital: It is usually used as a sleeping aid. But it had few side effects: prolonged usage resulted in tolerance to the drug. And it is also used in buffer solution.

You should be cautious while dealing with this chemical. It is harmful by inhalation, and may cause carcinogenic effect. It is also harmul to the unborn child. Therefore, you had better wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC1(C(=O)NC(=O)NC1=O)CC
(2)InChI: InChI=1/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
(3)InChIKey: FTOAOBMCPZCFFF-UHFFFAOYAR

The toxicity data is as follows: